2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide

• ChemBase ID: 250540
• Molecular Formular: C11H11N3OS
• Molecular Mass: 233.28954
• Monoisotopic Mass: 233.06228299
• SMILES: n1c(scc1c1ccccc1)CC(=O)NN
• Canonical SMILES: NNC(=O)Cc1scc(n1)c1ccccc1
• InChI: InChI=1S/C11H11N3OS/c12-14-10(15)6-11-13-9(7-16-11)8-4-2-1-3-5-8/h1-5,7H,6,12H2,(H,14,15)
• InChIKey: HMSHIOWVUCPJNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
• IUPAC Traditional name: 2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide
• Synonyms: 2-(4-phenyl-1,3-thiazol-2-yl)acetohydrazide

Database IDs

• MDL Number: MFCD07352168
• PubChem SID: 164306450
• PubChem CID: 7131215

CALCULATED PROPERTIES

• Acid pKa: 12.429437
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5752074
• LogD (pH = 7.4): 1.576963
• Log P: 1.5769892
• Molar Refractivity: 63.1217 cm^3
• Polarizability: 25.364124 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 129 - 131°C
• Hydrophobicity(logP): 0.586

Product Information

• Purity: 95%